First principles calculations of magneto-crystalline anisotropy of rare-earth magnets

Journal of Physics Communications ◽

10.1088/2399-6528/abda60 ◽

2021 ◽

Vol 5 (1) ◽

pp. 015013

Author(s):

Tomoyuki Hamada ◽

Masakuni Okamoto

Keyword(s):

First Principles ◽

First Principles Calculations ◽

Crystalline Anisotropy ◽

Magneto Crystalline Anisotropy

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Magnetic structure and bonding of rare-earth diboride compounds R B2 : First-principles calculations

physica status solidi (b) ◽

10.1002/pssb.201147542 ◽

2012 ◽

Vol 249 (7) ◽

pp. 1470-1476 ◽

Author(s):

S. Kacimi ◽

B. Bekkouche ◽

A. Boukortt ◽

F. Zazoua ◽

M. Djermouni ◽

...

Keyword(s):

Magnetic Structure ◽

First Principles ◽

First Principles Calculations ◽

Structure And Bonding

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Research on new rare-earth half-metallic ferromagnets X0.75Eu0.25O (X=Ca, Sr and Ba) based on the first-principles calculations

Solid State Communications ◽

10.1016/j.ssc.2016.04.009 ◽

2016 ◽

Vol 242 ◽

pp. 11-15 ◽

Author(s):

Liu Jun ◽

Yang Xiao-Lan ◽

Kang Wei

Keyword(s):

First Principles ◽

First Principles Calculations ◽

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Solid solution strengthening mechanism and interstitial diffusion behavior of rare earth element lanthanum in austenite using first-principles calculations

Theoretical Chemistry Accounts ◽

10.1007/s00214-019-2513-3 ◽

2019 ◽

Vol 139 (1) ◽

Author(s):

Dongyu Fan ◽

Chunning Liu ◽

Fang Yin ◽

Zhenguo Hou ◽

Jian Yang

Keyword(s):

Solid Solution ◽

Rare Earth Element ◽

First Principles ◽

Earth Element ◽

Strengthening Mechanism ◽

First Principles Calculations ◽

Diffusion Behavior ◽

Solid Solution Strengthening ◽

Solution Strengthening

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Electronic Structure of Rare-Earth Scandates from X-Ray Spectroscopy and First-Principles Calculations

Ferroelectrics ◽

10.1080/00150193.2012.743833 ◽

2012 ◽

Vol 438 (1) ◽

pp. 45-54

Author(s):

A. V. Postnikov ◽

C. Derks ◽

K. Kuepper ◽

M. Neumann

Keyword(s):

Electronic Structure ◽

First Principles ◽

First Principles Calculations ◽

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Effects of rare-earth substitution on the stability and electronic structure of REZnOSb (RE=La–Nd, Sm–Gd) investigated via first-principles calculations

Chemical Physics ◽

10.1016/j.chemphys.2010.12.006 ◽

2011 ◽

Vol 380 (1-3) ◽

pp. 54-60 ◽

Author(s):

Kai Guo ◽

Zhen-Yong Man ◽

Qi-Gao Cao ◽

Hao-Hong Chen ◽

Xiangxin Guo ◽

...

Keyword(s):

Electronic Structure ◽

First Principles ◽

First Principles Calculations ◽

The Stability ◽

Rare Earth Substitution

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Magnetic coupling properties of rare-earth metals (Gd, Nd) doped ZnO: First-principles calculations

Journal of Applied Physics ◽

10.1063/1.3176490 ◽

2009 ◽

Vol 106 (2) ◽

pp. 023910 ◽

Author(s):

Hongliang Shi ◽

Ping Zhang ◽

Shu-Shen Li ◽

Jian-Bai Xia

Keyword(s):

First Principles ◽

Rare Earth Metals ◽

Magnetic Coupling ◽

First Principles Calculations ◽

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First-principles determinations of magneto-crystalline anisotropy and magnetostriction in bulk and thin-film transition metals

Journal of Magnetism and Magnetic Materials ◽

10.1016/s0304-8853(97)00382-x ◽

1998 ◽

Vol 177-181 ◽

pp. 1216-1219 ◽

Author(s):

R.Q. Wu ◽

L.J. Chen ◽

A. Shick ◽

A.J. Freeman

Keyword(s):

Thin Film ◽

Transition Metals ◽

First Principles ◽

Crystalline Anisotropy ◽

Magneto Crystalline Anisotropy

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First-principles calculations of transport and magnetic properties of rare-earth materials

10.1117/12.930936 ◽

2012 ◽

Author(s):

J. K. Glasbrenner ◽

J. M. An ◽

J. Kudrnovský ◽

V. Drchal ◽

S. Khmelevskyi ◽

...

Keyword(s):

Magnetic Properties ◽

First Principles ◽

First Principles Calculations

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Comparative Studies of Rare-Earth Element Y-Doped In 2 O 3 by First-Principles Calculations

Chinese Physics Letters ◽

10.1088/0256-307x/31/8/087101 ◽

2014 ◽

Vol 31 (8) ◽

pp. 087101 ◽

Author(s):

Li-Na Bai ◽

Li-Feng Feng ◽

Rui Wang ◽

Qing Jiang ◽

Jian-She Lian

Keyword(s):

Rare Earth Element ◽

First Principles ◽

Comparative Studies ◽

Earth Element ◽

First Principles Calculations

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Interface effects on the magnetic properties of layered Ni2MnGa/Ni2MnSn alloys: A first-principles investigation

Functional Materials Letters ◽

10.1142/s1793604716420108 ◽

2016 ◽

Vol 09 (06) ◽

pp. 1642010 ◽

Author(s):

Biswanath Dutta ◽

Ingo Opahle ◽

Tilmann Hickel

Keyword(s):

Magnetic Properties ◽

First Principles ◽

Density Functional ◽

Functional Theory ◽

Multilayer Systems ◽

Crystalline Anisotropy ◽

Additive Contribution ◽

Spin Moments ◽

Magneto Crystalline Anisotropy ◽

Interface Effects

The effect of interfaces on the magnetic properties of multilayers is analyzed for Ni2MnGa/Ni2MnSn system using density functional theory. The Ni spin moments at the interface change by about 30% compared to the bulk value, whereas the effect on the Mn spin moments is much less pronounced. A similar strong effect is also observed for the Ni orbital moments at the interface. The magneto-crystalline anisotropy of the multilayer systems can be understood by the additive contribution of the respective values of strained bulk materials.

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